2-chloranyl-N-[4-(3-methylbutanoylamino)phenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(3-methylbutanoylamino)phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-(3-methylbutanoylamino)phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(3-methylbutanoylamino)phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-(isovalerylamino)phenyl]-4-nitro-benzamide Formula: C18H18ClN3O4 MolecularWeight: 375.80622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O4/c1-11(2)9-17(23)20-12-3-5-13(6-4-12)21-18(24)15-8-7-14(22(25)26)10-16(15)19/h3-8,10-11H,9H2,1-2H3,(H,20,23)(H,21,24)